General Information of the Compound
| Compound ID |
CP0166711
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| Compound Name |
MLS000565810
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| Structure |
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| Formula |
C12H13N3S
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| Molecular Weight |
231.324
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| Canonical SMILES |
C1CC1NC1=NN=C(CS1)c1ccccc1
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| InChI |
InChI=1S/C12H13N3S/c1-2-4-9(5-3-1)11-8-16-12(15-14-11)13-10-6-7-10/h1-5,10H,6-8H2,(H,13,15)
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| InChIKey |
TYKZJKITBFVWJU-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06101, Latent membrane protein 1